Compound Detail
CHEMBL1645407
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Basic Information
| ChEMBL ID | CHEMBL1645407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AILCVPMYLXWTCO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
2.47
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human aldosterone synthase expressed in chinese hamster V79 cells ... | 21129965 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 ... | 21129965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129965 | 10.1016/j.bmcl.2010.11.040 | Cytochrome P450 11B1, mitochondrial | 2 |
| 21129965 | 10.1016/j.bmcl.2010.11.040 | Cytochrome P450 11B2, mitochondrial | 2 |
| 21129965 | 10.1016/j.bmcl.2010.11.040 | Unchecked | 1 |
| 21129965 | 10.1016/j.bmcl.2010.11.040 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 21129965 | 10.1016/j.bmcl.2010.11.040 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine